input word = C00033021

Metabolite InformationStructural formula
Name Hemsleyanoside B
Formula C40H42O16
Mw 778.2472853
CAS RN 317820-58-9
C_ID C00033021 ,
InChIKey JVUSROPMPWEDQI-YBVQCDCFNA-N
InChICode InChI=1S/C40H42O16/c41-14-25-31(48)33(50)35(52)39(54-25)29-22(45)12-19(13-23(29)46)28-27-18(4-1-16-2-7-20(43)8-3-16)11-24(47)30(40-36(53)34(51)32(49)26(15-42)55-40)38(27)56-37(28)17-5-9-21(44)10-6-17/h1-13,25-26,28,31-37,39-53H,14-15H2/b4-1+/t25-,26-,28-,31-,32-,33+,34+,35-,36-,37+,39+,40+/m1/s1
SMILES OC[C@H]1O[C@@H](c2c(O)cc([C@@H]3c4c(/C=C/c5ccc(O)cc5)cc(O)c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4O[C@H]3c3ccc(O)cc3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea hemsleyana Ref.
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OrganismShorea hemsleyana
ReferenceIto,Chem.Pharm.Bull.,48,(2000),1959